BioLiP

PDB

BioLiP

PDB CCD ID:

POC

Number of entries in BioLiP:

Chemical formula:

C5 H15 N O4 P

InChI:

InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1/fC5H15NO4P/h7-8H/q+1

InChIKey:

YHHSONZFOIEMCP-JDXNDFPICG

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OCC[N+](C)(C)C
CACTVS 3.341	C[N+](C)(C)CCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0	C[N+](C)(C)CCOP(=O)(O)O

Name:

PHOSPHOCHOLINE

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).